COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.053   7.057  -1.473  1.00  0.00           C  
HETATM    2  C   UNL     1      11.008  -2.329   1.558  1.00  0.00           C  
HETATM    3  C   UNL     1       0.709  -3.631  -3.367  1.00  0.00           C  
HETATM    4  C   UNL     1       1.242   4.540  -2.504  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.200   2.837   1.108  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.069  -1.593   2.936  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.262  -0.804  -2.150  1.00  0.00           C  
HETATM    8  C   UNL     1       1.609   5.966  -0.534  1.00  0.00           C  
HETATM    9  C   UNL     1       9.908  -1.631   0.756  1.00  0.00           C  
HETATM   10  C   UNL     1       8.547  -1.934   1.385  1.00  0.00           C  
HETATM   11  C   UNL     1       7.446  -1.236   0.584  1.00  0.00           C  
HETATM   12  C   UNL     1       6.085  -1.540   1.213  1.00  0.00           C  
HETATM   13  C   UNL     1       4.985  -0.841   0.411  1.00  0.00           C  
HETATM   14  C   UNL     1       3.624  -1.145   1.041  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.339   1.067   1.188  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.364  -2.712  -0.547  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.598  -3.273  -3.050  1.00  0.00           O  
HETATM   18  O   UNL     1       2.828   0.207  -0.716  1.00  0.00           O  
HETATM   19  O   UNL     1       0.784   3.919   1.098  1.00  0.00           O  
HETATM   20  O   UNL     1      -6.563   0.914   1.689  1.00  0.00           O  
HETATM   21  O   UNL     1      -4.324  -1.722  -1.490  1.00  0.00           O  
HETATM   22  O   UNL     1      -6.193  -1.810   0.791  1.00  0.00           O  
HETATM   23  O   UNL     1      -2.842  -1.501   1.760  1.00  0.00           O  
HETATM   24  O   UNL     1       1.257  -0.583   0.622  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.293  -2.131  -1.681  1.00  0.00           O  
HETATM   26  O   UNL     1       0.410   2.526  -0.591  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.479  -2.999  -2.688  1.00  0.00           C  
HETATM   28  C   UNL     1       1.228   4.785  -1.017  1.00  0.00           C  
HETATM   29  C   UNL     1       2.541  -0.457   0.251  1.00  0.00           C  
HETATM   30  C   UNL     1       0.795   3.721  -0.101  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.494   1.606   0.600  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.486   0.406   1.480  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.096   0.492   0.307  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.578   0.216   0.292  1.00  0.00           C  
HETATM   35  C   UNL     1       0.267   0.107  -0.185  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.773  -2.248  -0.281  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.184  -1.086   1.498  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.005   1.522   0.372  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.483  -1.562  -1.074  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.089  -0.566  -0.064  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.833  -1.195   0.778  1.00  0.00           C  
HETATM   42  H   UNL     1       2.916   6.716  -2.044  1.00  0.00           H  
HETATM   43  H   UNL     1       1.239   7.302  -2.156  1.00  0.00           H  
HETATM   44  H   UNL     1       2.324   7.943  -0.899  1.00  0.00           H  
HETATM   45  H   UNL     1       1.599   6.141   0.532  1.00  0.00           H  
HETATM   46  H   UNL     1      10.994  -1.966   2.586  1.00  0.00           H  
HETATM   47  H   UNL     1      10.836  -3.405   1.550  1.00  0.00           H  
HETATM   48  H   UNL     1      11.977  -2.113   1.109  1.00  0.00           H  
HETATM   49  H   UNL     1      10.080  -0.554   0.763  1.00  0.00           H  
HETATM   50  H   UNL     1       9.921  -1.994  -0.272  1.00  0.00           H  
HETATM   51  H   UNL     1       1.024  -3.007  -4.204  1.00  0.00           H  
HETATM   52  H   UNL     1       1.529  -3.722  -2.654  1.00  0.00           H  
HETATM   53  H   UNL     1       0.435  -4.620  -3.734  1.00  0.00           H  
HETATM   54  H   UNL     1       2.214   4.143  -2.798  1.00  0.00           H  
HETATM   55  H   UNL     1       0.463   3.823  -2.761  1.00  0.00           H  
HETATM   56  H   UNL     1       1.060   5.478  -3.029  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.240   2.809   2.197  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.656   3.726   0.787  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.213   2.866   0.707  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.793  -2.647   2.929  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.305  -1.021   3.463  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.027  -1.472   3.443  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.091  -0.267  -1.689  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.600  -0.093  -2.645  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.650  -1.511  -2.883  1.00  0.00           H  
HETATM   66  H   UNL     1       8.375  -3.011   1.378  1.00  0.00           H  
HETATM   67  H   UNL     1       8.533  -1.572   2.413  1.00  0.00           H  
HETATM   68  H   UNL     1       7.618  -0.160   0.591  1.00  0.00           H  
HETATM   69  H   UNL     1       7.460  -1.599  -0.444  1.00  0.00           H  
HETATM   70  H   UNL     1       5.913  -2.616   1.206  1.00  0.00           H  
HETATM   71  H   UNL     1       6.072  -1.177   2.241  1.00  0.00           H  
HETATM   72  H   UNL     1       5.157   0.235   0.419  1.00  0.00           H  
HETATM   73  H   UNL     1       4.999  -1.204  -0.617  1.00  0.00           H  
HETATM   74  H   UNL     1       3.452  -2.221   1.033  1.00  0.00           H  
HETATM   75  H   UNL     1       3.611  -0.782   2.069  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.960   0.320  -0.724  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.920  -3.063   0.384  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.386  -3.531  -1.266  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.372  -3.102   0.036  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.361  -2.359  -2.216  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.073  -1.747   1.187  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.920  -2.389   2.135  1.00  0.00           H  
HETATM   83  H   UNL     1       0.586   0.156  -1.226  1.00  0.00           H  
HETATM   84  H   UNL     1       0.527   1.663   1.313  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.997  -1.153   0.849  1.00  0.00           H  
CONECT    1    8   42   43   44                                       
CONECT    2    9   46   47   48                                       
CONECT    3   27   51   52   53                                       
CONECT    4   28   54   55   56                                       
CONECT    5   31   57   58   59                                       
CONECT    6   37   60   61   62                                       
CONECT    7   39   63   64   65                                       
CONECT    8    1   28   28   45                                       
CONECT    9    2   10   49   50                                       
CONECT   10    9   11   66   67                                       
CONECT   11   10   12   68   69                                       
CONECT   12   11   13   70   71                                       
CONECT   13   12   14   72   73                                       
CONECT   14   13   29   74   75                                       
CONECT   15   32   34                                                 
CONECT   16   36   39   77   78                                       
CONECT   17   27   27                                                 
CONECT   18   29   29                                                 
CONECT   19   30   30                                                 
CONECT   20   32   32                                                 
CONECT   21   36   80                                                 
CONECT   22   37   81                                                 
CONECT   23   41   82                                                 
CONECT   24   29   35                                                 
CONECT   25   27   39                                                 
CONECT   26   30   38                                                 
CONECT   27    3   17   17   25                                       
CONECT   28    4    8    8   30                                       
CONECT   29   14   18   18   24                                       
CONECT   30   19   19   26   28                                       
CONECT   31    5   33   33   38                                       
CONECT   32   15   20   20   37                                       
CONECT   33   31   31   34   40                                       
CONECT   34   15   33   41   76                                       
CONECT   35   24   38   40   83                                       
CONECT   36   16   21   41   79                                       
CONECT   37    6   22   32   41                                       
CONECT   38   26   31   35   84                                       
CONECT   39    7   16   25   40                                       
CONECT   40   33   35   39   85                                       
CONECT   41   23   34   36   37                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    8                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    2                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    5                                                      
CONECT   58    5                                                      
CONECT   59    5                                                      
CONECT   60    6                                                      
CONECT   61    6                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    7                                                      
CONECT   66   10                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   13                                                      
CONECT   73   13                                                      
CONECT   74   14                                                      
CONECT   75   14                                                      
CONECT   76   34                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   36                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   35                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
